Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 6/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.33 |
| ▸ | F9 | P00740 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25640542 | 0.96 | ABCG2 (0.38) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640063 | 0.95 | ABCG2 (0.35) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640500 | 0.95 | ABCG2 (0.38) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640204 | 0.93 | CYP1A1 (0.34) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25731366 | 0.92 | CYP1A1 (0.39) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640202 | 0.91 | ABCG2 (0.38) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640541 | 0.90 | ABCG2 (0.35) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25731002 | 0.90 | CYP1A1 (0.39) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25640074 | 0.90 | CYP1A1 (0.37) | ABCG2CYP1A1CYP1A2PAX8FYN | |
| SCHEMBL25881814 | 0.89 | F9 (0.39) | ABCG2CYP1A1CYP1A2PAX8FYN |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |